2-(Difluoromethyl)-4-nitro-1H-benzimidazole

• Catalog: OFC189045394
• CAS: 189045-39-4
• Category: Fluorinated Benzimidazoles
• Synonyms: 2-(difluoromethyl)-4-nitro-1H-1,3-benzodiazole
• MDL Number: MFCD22561278

• IUPAC Name: 2-(difluoromethyl)-4-nitro-1H-benzimidazole
• InChI: InChI=1S/C8H5F2N3O2/c9-7(10)8-11-4-2-1-3-5(13(14)15)6(4)12-8/h1-3,7H,(H,11,12)
• InChI Key: GPAZUAMCYHRIGA-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2)C(F)F

• Molecular Formula: C8H5F2N3O2
• Molecular Weight: 213.14

• XLogP3-AA: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 213.03498273 g/mol
• Monoisotopic Mass: 213.03498273 g/mol
• Topological Polar Surface Area: 74.5Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 259